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352275-00-4 | [(tert-butoxy)carbonyl]({[4-(dimethyliminiumyl)-1,4-dihydropyridin-1-yl]sulfonyl})azanide
CAS No: 352275-00-4 Catalog No: AG019L9X MDL No:MFCD24387682
Product Description
Catalog Number:
AG019L9X
Chemical Name:
[(tert-butoxy)carbonyl]({[4-(dimethyliminiumyl)-1,4-dihydropyridin-1-yl]sulfonyl})azanide
CAS Number:
352275-00-4
Molecular Formula:
C12H19N3O4S
Molecular Weight:
301.3620
MDL Number:
MFCD24387682
IUPAC Name:
(1E)-N-[4-(dimethylamino)pyridin-1-ium-1-yl]sulfonyl-1-[(2-methylpropan-2-yl)oxy]methanimidate
InChI:
InChI=1S/C12H19N3O4S/c1-12(2,3)19-11(16)13-20(17,18)15-8-6-10(7-9-15)14(4)5/h6-9H,1-5H3
InChI Key:
KEQQONPVAQQBHG-UHFFFAOYSA-N
SMILES:
O=C([N-]S(=O)(=O)n1ccc(=[N+](C)C)cc1)OC(C)(C)C
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
301.11g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.361g/mol
Monoisotopic Mass:
301.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
94.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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